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#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/02/78/4027828.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4027828
loop_
_publ_author_name
'Hamann, W.'
'Krebs, B.'
'Puettmann, C.'
_publ_section_title
;
 Preparation and crystal structures of Tl B S2 and Sr B2 S4. Four membered
 B2 S2 rings in thioborates
;
_journal_name_full
'European Journal of Solid State Inorganic Chemistry'
_journal_page_first              857
_journal_page_last               872
_journal_volume                  29
_journal_year                    1992
_chemical_formula_sum            'B2 S4 Sr'
_chemical_name_systematic        'Sr (B2 S4)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.54
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.476
_cell_length_b                   14.147
_cell_length_c                   6.092
_cell_volume                     522.643
_citation_journal_id_ASTM        EJSCE5
_cod_data_source_file            boron_338.cif
_cod_data_source_block           B2S4Sr1
_cod_original_cell_volume        522.6431
_cod_original_formula_sum        'B2 S4 Sr1'
_cod_database_code               4027828
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
B2 B+3 0.9639 0.0839 0.5668 1 0.0
S3 S-2 0.8675 0.09916 0.82795 1 0.0
Sr1 Sr+2 0.31186 0.10305 0.19558 1 0.0
S2 S-2 0.58242 0.23813 0.00411 1 0.0
B1 B+3 0.7697 0.2281 0.821 1 0.0
S4 S-2 0.02924 0.19643 0.44067 1 0.0
S1 S-2 0.23439 0.00747 0.64964 1 0.0
